%chk=000266933.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266933

0 1
O 2.389967 -0.316328 -1.386543
O 2.602471 2.279495 0.594145
O 4.661083 0.867460 0.925386
O 4.036772 -2.628816 0.794981
O -0.157272 2.481599 0.253033
O -4.035595 0.129795 0.398260
N 0.261943 -0.265065 -0.404262
N -1.164887 -2.008284 -0.194088
N -2.408685 2.280389 0.138477
N -3.824024 -2.089377 0.779927
N -2.621997 3.669594 0.310160
N -5.196213 -2.263846 1.085209
C 2.196499 0.921057 0.689417
C 1.505700 0.521540 -0.648610
C 3.500095 0.082578 0.750263
C 3.572965 -0.668898 -0.604261
C 3.564510 -2.202395 -0.482404
C -0.990389 0.278050 -0.054412
C 0.108040 -1.658512 -0.479214
C -1.857759 -0.823610 0.069118
C -1.143775 1.740130 0.133709
C -3.298583 -0.861058 0.409163
H 1.544613 0.784817 1.577418
H 1.273159 1.397423 -1.309474
H 3.517955 -0.620563 1.620781
H 4.420288 -0.297707 -1.222961
H 4.156063 -2.678102 -1.284420
H 2.524940 -2.600999 -0.518284
H 1.796635 2.871614 0.660747
H 4.544926 1.779058 0.540954
H 0.925249 -2.332671 -0.736154
H 5.002140 -2.457305 0.881390
H -3.300959 1.723048 0.094670
H -3.297568 -2.971853 0.740461
H -2.215400 3.984013 1.204083
H -2.119389 4.192749 -0.422802
H -5.437552 -1.697677 1.913305
H -5.780165 -1.893241 0.319131


%chk=000266933-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000266933

0 1
O 2.206133 -1.142558 -0.929930
O 2.482321 1.938433 0.666118
O 4.579344 0.550898 1.319565
O 5.907915 -1.548317 -0.373476
O -0.019400 2.422207 0.005012
O -4.210154 0.545206 0.495817
N 0.038052 -0.528170 -0.210039
N -1.621101 -2.038208 0.059770
N -2.320754 2.322675 0.168234
N -4.264015 -1.776911 0.603963
N -2.353634 3.716731 0.360215
N -5.665459 -1.862311 0.791018
C 2.115048 0.546706 0.838394
C 1.400503 -0.011592 -0.445637
C 3.446170 -0.255056 0.897179
C 3.601974 -0.788582 -0.551574
C 4.539692 -1.990730 -0.662629
C -1.128249 0.229542 0.014066
C -0.308203 -1.875444 -0.172376
C -2.150792 -0.743495 0.175405
C -1.110634 1.710046 0.054111
C -3.595991 -0.589425 0.439326
H 1.483484 0.402624 1.735415
H 1.355420 0.787156 -1.208704
H 3.365353 -1.102126 1.601030
H 3.968501 0.032292 -1.203441
H 4.556443 -2.396875 -1.687229
H 4.214010 -2.791236 0.036221
H 1.616729 2.415316 0.452003
H 4.327002 1.500411 1.127844
H 0.420663 -2.659708 -0.342814
H 5.882356 -0.869245 0.357120
H -3.211476 1.748808 0.316225
H -3.738317 -2.650439 0.492422
H -1.402846 4.101067 0.267104
H -3.069508 4.172276 -0.214640
H -5.925136 -1.608656 1.754745
H -6.155643 -1.265208 0.110468


